Geometry & MOs

Info

ID:

411986

PubChem CID:

135084842

Reduced:

AuClNC27H40 (1)

Stoich.:

ABCD27E40 (1)

Weight, g/mol:

746.344255

ΔHf, kcal/mol:

17.78

Dipole, Da:

9.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.757639

Charge, e:

 0

Chem-info

IUPAC name:

bis(3,5-dimethylphenyl)-[1-[2-(3,5-dimethylphenyl)phosphanyl-3-propan-2-yloxynaphthalen-1-yl]-3-propan-2-yloxynaphthalen-2-yl]phosphane

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)N2[CH-]C3(CC2(C)C)C4CC5CC(C4)CC3C5.Cl[Au]

DOS

IR

Vibrations